General Information of the Compound
| Compound ID |
CP0098314
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| Compound Name |
N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1-benzothiophen-5-yl]ethyl]acetamide
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| Structure |
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| Formula |
C28H27NO3S
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| Molecular Weight |
457.595
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| Canonical SMILES |
CC(NC(C)=O)c1ccc2sc(cc2c1)-c1ccc(Oc2cccc(OCC3CC3)c2)cc1
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| InChI |
InChI=1S/C28H27NO3S/c1-18(29-19(2)30)22-10-13-27-23(14-22)15-28(33-27)21-8-11-24(12-9-21)32-26-5-3-4-25(16-26)31-17-20-6-7-20/h3-5,8-16,18,20H,6-7,17H2,1-2H3,(H,29,30)
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| InChIKey |
PMURXZSLUMPTOY-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01270, Acetyl-CoA carboxylase 1
Protein ID: PT01119, Acetyl-CoA carboxylase 2